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Electronic transport in narrow gap semiconductors is characterized by spontaneous vertical transitions between carriers in the valence and conduction bands, a phenomenon also known as Zener tunneling. However, this effect is not captured by…
Josephson junctions manufactured to tight tolerances are necessary components for superconducting quantum computing. Developing precise manufacturing techniques for Josephson junctions requires an understanding of their make-up and robust…
We performed a theoretical investigation of the structural and electronic properties of (i) pristine, and (ii) superlattice structures of borophene. In (i), by combining first-principles calculations, based on the density functional theory…
The general solution for ballistic electronic transport through double-barrier Josephson junctions is derived. We show the existence of a regime of phase-coherent transport in which the supercurrent is proportional to the single barrier…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
Boltzmann transport theory, the standard framework for predicting thermal conductivity, assumes that every vibrational mode eventually scatters, acquiring a finite lifetime that yields a convergent, length-independent thermal conductivity:…
The electronic transport properties of heavy-fermion systems were calculated based on a semiphenomenological approach to the lattice non-crossing approximation in the limit of infinite local correlations augmented by crystal-field effects.…
We investigated a suspended bilayer graphene where the bottom (top) layer is doped by boron (nitrogen) substitutional atoms by using Density Functional Theory (DFT) calculations. We found that at high dopant concentration (one B-N pair…
We present a detailed microscopic study of quasi-ballistic transport in deep submicron semiconductor channels. In particular, we study the crossover between the diffusive and ballistic regimes of transport and identify signatures in the…
A theory for conduction electron scattering by inhomogeneous crystal lattice strains is developed, based on the differential geometric treatment of deformations in solids. The resulting fully covariant Schr\"odinger equation shows that the…
Using density functional theory and non-equilibrium Greens function technique, we performed theoretical investigations on the transport properties of several ZAZ SiNRs junctions,a similar kind of silicene molecules junction combined by…
Energy-transport equations for the transport of fermions in optical lattices are formally derived from a Boltzmann transport equation with a periodic lattice potential in the diffusive limit. The limit model possesses a formal gradient-flow…
The charge-carrier transport properties of ultrathin metallic films are analysed with ab-initio methods using the density functional theory (DFT) on free-standing single crystalline slabs in the thickness range between 1 and 8 monolayers…
We study the temperature dependence of the electrical resistivity of interacting two-dimensional metallic systems. We perform a numerical simulation of the nonequilibrium state based on semiclassical Boltzmann transport theory. Through our…
We study the variation of electron transmission through Au-S-benzene-S-Au junctions and related systems as a function of the structure of the Au:S contacts. For junctions with semi-infinite flat Au(111) electrodes, the highly coordinated…
Networks of nanowires and nanosheets are important for many applications in printed electronics. However, the network conductivity and mobility are usually limited by the inter-particle junction resistance, a property that is challenging to…
We study the electron transmission through the domain boundary on bilayer graphene separating AB and BA stacking regions. Using the effective continuum model, we calculate the electron transmission probability as a function of the electron…
Molecular crystals compose the current state of the art when it comes to organic-based optoelectronic applications. Charge transport is a crucial aspect of their performance. The ability to predict accurate electron mobility is needed in…
The traditional transmission coefficient present in the original Landauer formulation, which is valid for quasi-static scenarios with working frequencies below the inverse of the electron transit time, is substituted by a novel…
We investigate the nature of electron transport through monolayer molybdenum dichalcogenides (MoX$_2$, X=S, Se) suspended between Au and Ti metallic contacts. The monolayer is placed ontop of the close-packed surfaces of the metal…